2368-0449 Screening compound: (5E)-5-[(4-iodophenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

2368-0449 Screening compound: (5E)-5-[(4-iodophenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
2368-0449 Screening compound: (5E)-5-[(4-iodophenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0449
(5E)-5-[(4-iodophenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

2368-0449

Molecular Formula

C18H13IN2O3 (C18 H13 IN2 O3)

Compound Name

(5E)-5-[(4-iodophenyl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-[(4-iodophenyl)methylidene]-1-(4-methylphenyl)-13-diazinane-246-trione

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)ccc2I)=O)C1=O

InChI

InChI=1S/C18H13IN2O3/c1-11-2-8-14(9-3-11)21-17(23)15(16(22)20-18(21)24)10-12-4-6-13(19)7-5-12/h2-10H,1H3,(H,20,22,24)

InChI Key

IUGWPUSJTOOIAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.023

Distribution Coefficient, logD

3.720

Water Solubility, LogSw

-4.11

Polar Surface Area

53.391

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 2368-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0449?
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What is the minimum amount of 2368-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0449
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 2368-0449 available by request